UCSF

ZINC06780614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 6.17 -12.53 1 6 0 72 339.395 5
Lo Low (pH 4.5-6) 0.73 6.64 -44.14 2 6 1 73 340.403 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )